CID 3052251

Urea, n'-(aminoiminomethyl)-n-(2-chloro-6-methylphenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)N(C)C(=O)N=C(N)N
InChI
InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)15(2)10(16)14-9(12)13/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKey
SQEFTWHPVULNRN-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(diaminomethylidene)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.07779 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 153.7
[M+Na]+ 263.06701 162.9
[M+NH4]+ 258.11161 160.7
[M+K]+ 279.04095 158.3
[M-H]- 239.07051 157.0
[M+Na-2H]- 261.05246 158.8
[M]+ 240.07724 155.8
[M]- 240.07834 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe